1-Ethenyl-2-methylbenzene
PubChem CID: 11904
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| Compound Synonyms | 2-Methylstyrene, 611-15-4, 2-Vinyltoluene, 1-Methyl-2-vinylbenzene, 1-Ethenyl-2-methylbenzene, o-Vinyltoluene, O-METHYLSTYRENE, Styrene, o-methyl-, Benzene, 1-ethenyl-2-methyl-, Benzene, ethenylmethyl-, EINECS 210-256-7, MFCD00014936, BRN 1901764, 2-Ethenylmethylbenzene, 556UO5CL44, (2-TOLYL)ETHENE, POLY(VINYLTOLUENE), METHYLSTYRENE, O-, DTXSID2060599, HSDB 8457, 4-05-00-01367 (Beilstein Handbook Reference), 2-METHYLSTYRENE (STABILIZED WITH TBC), 1-ethenyl-2-methyl-benzene, ortho-Methylstyrene, UNII-556UO5CL44, o-methyl-styrene, ortho-vinyltoluene, 2-Methyl-1-vinylbenzene, CHEMBL3427716, DTXCID4042963, NVZWEEGUWXZOKI-UHFFFAOYSA-, Poly(Vinyltoluene), Mixed Isomers, Benzene, ethenylmethyl, homopolymer, Benzene, 1-ethenyl-2-methyl-(9CI), 2-Methylstyrene, >=95.0% (GC), AKOS005256969, FM106355, LS-13610, SY048431, CS-0110436, M0259, NS00019910, T72704, Q2805872, InChI=1/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3, 210-256-7, 25087-21-2 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 94.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethenyl-2-methylbenzene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Is Pains | False |
| Molecular Formula | C9H10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NVZWEEGUWXZOKI-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 1-Ethenyl-2-methylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 118.078 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 118.078 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 118.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.984543133333333 |
| Inchi | InChI=1S/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3 |
| Smiles | CC1=CC=CC=C1C=C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients